1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[5-(3-hydroxy-3-methyl-but-1-ynyl)thiophene-2-carbonyl]proline Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)N2CCCC2C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N2CCCC2C(=O)O)O

InChI

InChI=1S/C15H17NO4S/c1-15(2,20)8-7-10-5-6-12(21-10)13(17)16-9-3-4-11(16)14(18)19/h5-6,11,20H,3-4,9H2,1-2H3,(H,18,19)